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13-[(2,2-dimethylpropanoyl)oxy]-4,14-dimethyl-8,10-bis(2,4,6-trimethylphenyl)-8,10-diazatricyclo[9.4.0.0(2,7)]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl 2,2-dimethylpropanoate
SpectraBase Compound ID 62GGzSADGr
InChI InChI=1S/C43H52N2O4/c1-24-15-28(5)38(29(6)16-24)44-23-45(39-30(7)17-25(2)18-31(39)8)35-22-37(49-41(47)43(12,13)14)27(4)20-33(35)32-19-26(3)36(21-34(32)44)48-40(46)42(9,10)11/h15-22H,23H2,1-14H3
InChIKey OTOPJPRWDIBAFC-UHFFFAOYSA-N
Mol Weight 660.9 g/mol
Molecular Formula C43H52N2O4
Exact Mass 660.392708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmvrqSuoV9E
Name 13-[(2,2-dimethylpropanoyl)oxy]-4,14-dimethyl-8,10-bis(2,4,6-trimethylphenyl)-8,10-diazatricyclo[9.4.0.0(2,7)]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl 2,2-dimethylpropanoate
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 660.392708158 u
Formula C43H52N2O4
InChI InChI=1S/C43H52N2O4/c1-24-15-28(5)38(29(6)16-24)44-23-45(39-30(7)17-25(2)18-31(39)8)35-22-37(49-41(47)43(12,13)14)27(4)20-33(35)32-19-26(3)36(21-34(32)44)48-40(46)42(9,10)11/h15-22H,23H2,1-14H3
InChIKey OTOPJPRWDIBAFC-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890 N GC-5973 N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202300591
Molecular Weight 660.899 g/mol
Quality 64
Reported Formula C43H52N2O4
SMILES C1(=CC=2C3=CC(=C(C=C3N(CN(C2C=C1OC(C(C)(C)C)=O)C=1C(=CC(=CC1C)C)C)C=1C(=CC(=CC1C)C)C)OC(C(C)(C)C)=O)C)C
SPLASH splash10-08fr-1000019000-3edb575577037a9c5936
Source of Spectrum K1-26-11-6l (DOI: 10.1002/ejoc.202300591)
Wiley ID 1911448